Geometry & MOs

Info

ID:

111343

PubChem CID:

50362654

Reduced:

FO5N6C38H47 (1)

Stoich.:

AB5C6D38E47 (1)

Weight, g/mol:

654.352969

ΔHf, kcal/mol:

-238.58

Dipole, Da:

13.04

IP(EA), eV:

 -8.73(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-methyl-3-[(4-methylbenzoyl)amino]anilino]-2-oxoethyl]-1-[2-[2-methyl-3-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)C(C)NC(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)NCC(C)C

DOS

IR

Vibrations